2-[(1S,3S)-3-oxidanylcyclohexyl]-2-(phenylmethyl)propanedinitrile

Systemtic Name: 2-[(1S,3S)-3-oxidanylcyclohexyl]-2-(phenylmethyl)propanedinitrile Openeye Name: 2-benzyl-2-[(1S,3S)-3-hydroxycyclohexyl]propanedinitrile CAS Name: 2-[(1S,3S)-3-hydroxycyclohexyl]-2-(phenylmethyl)propanedinitrile IUPAC Name: 2-benzyl-2-[(1S,3S)-3-hydroxycyclohexyl]propanedinitrile Traditional Name: 2-benzyl-2-[(1S,3S)-3-hydroxycyclohexyl]malononitrile Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)C(CC2=CC=CC=C2)(C#N)C#N

Isomeric SMILES

C1C[C@@H](C[C@H](C1)O)C(CC2=CC=CC=C2)(C#N)C#N

InChI

InChI=1S/C16H18N2O/c17-11-16(12-18,10-13-5-2-1-3-6-13)14-7-4-8-15(19)9-14/h1-3,5-6,14-15,19H,4,7-10H2/t14-,15-/m0/s1